[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C15H18N4O3S — CID 119075063

IUPAC[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h1-5,8,10,12H,6-7,9,11H2,(H2,16,21,22)
InChIKeyQMCFLGWJNLKJRS-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.62
Rot. Bonds4

About [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 119075063) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID119075063
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H18N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h1-5,8,10,12H,6-7,9,11H2,(H2,16,21,22)
InChIKeyQMCFLGWJNLKJRS-UHFFFAOYSA-N
XLogP0.62
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138024559
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chlorophenyl)pyrazol-4-yl]methanone
CID 119412281
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 156605171
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119059682
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 119075063) is [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(C(=O)c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QMCFLGWJNLKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h1-5,8,10,12H,6-7,9,11H2,(H2,16,21,22).
What are the key properties of [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 119075063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).